SCHEMBL2595439

SCHEMBL2595439

COc1ccccc1CN(CCc1ccc(NC(=O)Nc2cnc(C#N)cn2)cc1Cl)C(=O)OC(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.70

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL14762121 0.99 CHEK1 (0.69) CHEK1
SCHEMBL2595450 0.88 CHEK1 (0.75) CHEK1
SCHEMBL16195588 0.83 CHEK1 (0.66) CHEK1
SCHEMBL2589918 0.82 CHEK1 (1.00) CHEK1
SCHEMBL2595576 0.81 CHEK1 (0.68) CHEK1
SCHEMBL2595563 0.81 CHEK1 (0.69) CHEK1
SCHEMBL14761985 0.79 CHEK1 (0.70) CHEK1
SCHEMBL14761986 0.79 CHEK1 (0.51) CHEK1
SCHEMBL2589860 0.78 CHEK1 (0.61) CHEK1
SCHEMBL2595441 0.78 CHEK1 (0.54) CHEK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES SENTINEL ONCOLOGY LIMITED (GB) 2017-08-31 US disclosed
US-9630931-B2 Pharmaceutically active pyrazine derivatives SENTINEL ONCOLOGY LIMITED (GB) 2017-04-25 US disclosed
EP-2780331-B1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES SENTINEL ONCOLOGY LTD (GB) 2016-04-20 EP disclosed
US-20140323484-A1 Pharmaceutically Active Pyrazine Derivatives SENTINEL ONCOLOGY LIMITED (GB) 2014-10-30 US disclosed
EP-2780331-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES Sentinel Oncology Limited (GB) 2014-09-24 EP disclosed
US-8716287-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
WO-2013072502-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES SENTINEL ONCOLOGY LIMITED (GB) 2013-05-23 WO disclosed
EP-2569290-A2 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2013-03-20 EP disclosed
US-20130065900-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2013-03-14 US disclosed
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130065900-A1 PHARMACEUTICAL COMPOUNDS CSNK1A1, FRK, CSNK1E CHEK1 105/4885
US-20140323484-A1 Pharmaceutically Active Pyrazine Derivatives PHKG1, PHKG2, PLK2 CHEK1 36/4885
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES PHKG1, PHKG2, PEAK1 CHEK1 29/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.